2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane)

C93H77Cl3N4P4Pd — CID 159167753

IUPAC2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane)
SMILESCc1ccccn1.Clc1cccc(-c2ccccn2)n1.Clc1cccc(Cl)n1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C10H7ClN2.C6H7N.C5H3Cl2N.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-10-6-3-5-9(13-10)8-4-1-2-7-12-8;1-6-4-2-3-5-7-6;6-4-2-1-3-5(7)8-4;/h4*1-15H;1-7H;2-5H,1H3;1-3H;
InChIKeyKLHGABASMPECHC-UHFFFAOYSA-N
MW1587.34 g/mol
LogP20.35
Rot. Bonds13

About 2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane)

2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane) (PubChem CID 159167753) has the molecular formula C93H77Cl3N4P4Pd and a molecular weight of 1587.34 g/mol. Its IUPAC name is 2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane)
PubChem CID159167753
Molecular FormulaC93H77Cl3N4P4Pd
Molecular Weight1587.34 g/mol
Exact Mass1584.32
IUPAC Name2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane)
SMILESCc1ccccn1.Clc1cccc(-c2ccccn2)n1.Clc1cccc(Cl)n1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C10H7ClN2.C6H7N.C5H3Cl2N.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-10-6-3-5-9(13-10)8-4-1-2-7-12-8;1-6-4-2-3-5-7-6;6-4-2-1-3-5(7)8-4;/h4*1-15H;1-7H;2-5H,1H3;1-3H;
InChIKeyKLHGABASMPECHC-UHFFFAOYSA-N
XLogP20.35
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001587.34
LogP ≤ 520.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Dichlororuthenium; 4-diphenylphosphanylbutyl(diphenyl)phosphane; 2-(2-pyridyl)pyridine
CID 12028300
N,N,N',N'-tetrakis[(4-chloro-2-pyridinyl)methyl]ethane-1,2-diamine
CID 10650537
(1E,1'E)-1,1'-([3,3':6',2'':5'',3'''-quaterpyridine]-6,6'''-diyl)bis(N-(4-chlorophenyl)methanimine)
CID 90656962
Tetrakis(diphenyl(2-pyridin-2-ylethynyl)phosphanium);platinum
CID 135058067
4-Diphenylphosphanyl-1,5-naphthyridine
CID 139084766
Bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate
CID 139238459
Dichloroosmium;2,6-dipyridin-2-ylpyridine;(triphenyl-lambda5-phosphanylidene)cyanamide
CID 11787646
Phenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane
CID 177406643
2,3,5,6-tetrakis[(E)-2-(3-chloro-2-pyridinyl)ethenyl]pyrazine
CID 21746084
2,3,5,6-Tetrakis[2-(3-chloro-2-pyridinyl)ethenyl]pyrazine
CID 53747863
2,3,5,6-Tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine
CID 54111697
2,3,5,6-Tetrakis[2-(5-chloro-2-pyridinyl)ethenyl]pyrazine
CID 54264747

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of 2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane) (CID 159167753) is 2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for 2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for 2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane) is Cc1ccccn1.Clc1cccc(-c2ccccn2)n1.Clc1cccc(Cl)n1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane)?
The InChIKey is KLHGABASMPECHC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C10H7ClN2.C6H7N.C5H3Cl2N.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-10-6-3-5-9(13-10)8-4-1-2-7-12-8;1-6-4-2-3-5-7-6;6-4-2-1-3-5(7)8-4;/h4*1-15H;1-7H;2-5H,1H3;1-3H;.
What are the key properties of 2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane)?
2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane) has a molecular weight of 1587.34 g/mol, XLogP of 20.35, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159167753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).